Information card for entry 4072398

Structure parameters

• Common name: complex 4b
• Formula: C51 H66 Fe O P2 Pt
• Calculated formula: C51 H66 Fe O P2 Pt
• SMILES: [Pt]1([P](=C[c]23[cH]4[Fe]56789%102([c]3([P@]1(c1ccccc1)c1cccc2ccccc12)[cH]5[cH]46)[cH]1[cH]7[cH]8[cH]9[cH]%101)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C.O(CC)CC
• Title of publication: Synthesis and Ligand Properties of 1-Phosphaethenyl-2-phosphanylferrocenes
• Authors of publication: Takita, Ryo; Takada, Yuko; Jensen, Rader S.; Okazaki, Masaaki; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6279
• a: 10.4639 ± 0.0001 Å
• b: 17.2101 ± 0.0002 Å
• c: 25.5495 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4601.08 ± 0.09 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No